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1 similar compounds to monomer 50204540

Compile data set for download or QSAR
Wt: 257.3
BDBM50204493

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50204493   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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48n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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48n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)


Article DOI: 10.1021/jm800311k
BindingDB Entry DOI: 10.7270/Q2J67HT8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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48n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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48n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 hydrolase


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 43n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH


Bioorg Med Chem Lett 18: 2109-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.091
BindingDB Entry DOI: 10.7270/Q2708287
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH (unknown origin)


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204493
PNG
(1-(oxazol-2-yl)-7-phenylheptan-1-one | CHEMBL22012...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncco1
Show InChI InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 (unknown origin)


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair